SCHEMBL15701282

SCHEMBL15701282

O=C(Nc1ccc(NC(=O)C(CCCNCc2ncco2)c2cccc(C(F)(F)F)c2)cn1)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.40
CYP2C8 P10632 4/20 0.40
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
KIT P10721 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15701130 0.85 CYP2C9 (0.45) CYP2C9CYP2C8ROCK2ALDH1A1SMN1; SMN2
SCHEMBL19446803 0.81 CYP2C9 (0.52) CYP2C9CYP2C8ROCK2ALDH1A1SMN1; SMN2
SCHEMBL15701129 0.81 EPHX2 (0.44) CYP2C9CYP2C8MAPK14
SCHEMBL19457525 0.78 CYP2C9 (0.38) CYP2C9CYP2C8ROCK2ALDH1A1KDM4E
SCHEMBL15701221 0.77 CYP2C9 (0.49) CYP2C9CYP2C8ROCK2ALDH1A1SMN1; SMN2
SCHEMBL15701081 0.77 CYP2C9 (0.52) CYP2C9CYP2C8ALDH1A1SMN1; SMN2NPC1
SCHEMBL15701045 0.77 CYP2C9 (0.52) CYP2C9CYP2C8ALDH1A1SMN1; SMN2NPC1
SCHEMBL7075380 0.72 CYP2C9 (0.49) CYP2C9CYP2C8ALDH1A1SMN1; SMN2NPC1
SCHEMBL17231811 0.71 CYP2C9 (0.37) CYP2C9CYP2C8KDM4EMAPTCYP3A4
SCHEMBL15701016 0.71 MEN1 (0.53) CYP2C9ROCK2SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 CYP2C9 2373/4885CYP2C8 2028/4885ROCK2 1586/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.